Chemical Properties of 2-Pentene-1,4-dione, 1-(1,2,2-trimethylcyclopentyl)

InChI

InChI=1S/C13H20O2/c1-10(14)6-7-11(15)13(4)9-5-8-12(13,2)3/h6-7H,5,8-9H2,1-4H3/b7-6-

InChI Key

OEAWUKBLZBMTNY-SREVYHEPSA-N

Formula

C13H20O2

SMILES

CC(=O)C=CC(=O)C1(C)CCCC1(C)C

Molecular Weight¹

208.30

Other Names

• (1,2,2-trimethyl-l-cyclopentyl)-2-pentene- 1,4-dione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-101.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-348.97	kJ/mol	Joback Calculated Property
ΔfusH°	15.24	kJ/mol	Joback Calculated Property
ΔvapH°	55.63	kJ/mol	Joback Calculated Property
log10WS	-3.09		Crippen Calculated Property
logPoct/wat	2.917		Crippen Calculated Property
McVol	182.010	ml/mol	McGowan Calculated Property
Pc	2377.22	kPa	Joback Calculated Property
I	[2111.00; 2176.00]
I	2111.00		NIST
I	2176.00		NIST
I	2111.00		NIST
Tboil	619.83	K	Joback Calculated Property
Tc	843.23	K	Joback Calculated Property
Tfus	385.51	K	Joback Calculated Property
Vc	0.692	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.21; 572.60]	J/mol×K	[619.83; 843.23]
Cp,gas	478.21	J/mol×K	619.83	Joback Calculated Property
Cp,gas	495.42	J/mol×K	657.06	Joback Calculated Property
Cp,gas	511.72	J/mol×K	694.30	Joback Calculated Property
Cp,gas	527.34	J/mol×K	731.53	Joback Calculated Property
Cp,gas	542.53	J/mol×K	768.76	Joback Calculated Property
Cp,gas	557.54	J/mol×K	806.00	Joback Calculated Property
Cp,gas	572.60	J/mol×K	843.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentene-1,4-dione, 1-(1,2,2-trimethylcyclopentyl).

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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